SCHEMBL13638581

SCHEMBL13638581

C=C1CC(Nc2nccc(-c3cc4ccc(OC)cc4s3)n2)CC(C)(C)N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.40
MKNK1 Q9BUB5 7/20 0.38
MKNK2 Q9HBH9 6/20 0.37
KCNH2 Q12809 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
SYK P43405 3/20 0.34
FLT3 P36888 2/20 0.33
CDK4 P11802 1/20 0.33
GSK3B P49841 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
IKBKG Q9Y6K9 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13638308 0.89 KCNH2 (0.34) EIF2AK2KCNH2SYKIKBKB
SCHEMBL13638524 0.88 KCNH2 (0.33) EIF2AK2KCNH2
SCHEMBL13638307 0.87 KCNH2 (0.38) KCNH2CDK4IKBKBCHUKIKBKG
SCHEMBL3477093 0.87 KCNH2 (0.48) EIF2AK2MKNK1MKNK2KCNH2HDAC8
SCHEMBL13638526 0.86 EIF2AK2 (0.32) EIF2AK2KCNH2FGFR1FGFR4
SCHEMBL14612804 0.85 MKNK1 (0.39) EIF2AK2MKNK1MKNK2HDAC8GSK3B
SCHEMBL14612878 0.84 MKNK1 (0.44) EIF2AK2MKNK1MKNK2HDAC8SYK
SCHEMBL13638676 0.84 MKNK1 (0.36) EIF2AK2MKNK1MKNK2KCNH2HDAC8
SCHEMBL13638582 0.84 ADRB2 (0.36)
SCHEMBL13638309 0.84 KCNH2 (0.38) EIF2AK2KCNH2HDAC8CDK4GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK EIF2AK2 108/4885MKNK1 394/4885MKNK2 291/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.